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1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID LRkYHQX1KkV
InChI InChI=1S/C22H30N6O2/c1-24-12-14-27(15-13-24)16-18-23-20-19(21(29)26(3)22(30)25(20)2)28(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3
InChIKey VTKABFDTNQRXDU-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C22H30N6O2
Exact Mass 410.243024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8O9dcjBcfbF
Name 1,3-Dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.243024228 u
Formula C22H30N6O2
InChI InChI=1S/C22H30N6O2/c1-24-12-14-27(15-13-24)16-18-23-20-19(21(29)26(3)22(30)25(20)2)28(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3
InChIKey VTKABFDTNQRXDU-UHFFFAOYSA-N
Molecular Weight 410.522 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCCC2=CC=CC=C2)C(=N1)CN1CCN(CC1)C